Acta Cryst. (2008). E64, m1053-m1054  [ doi:10.1107/S1600536808022605 ]

Di--chlorido-bis[dichlorido(3,3',5,5'-tetramethyl-4,4'-bipyrazol-1-ium-N^2')copper(II)] dihydrate

M. A. Kurawa, C. J. Adams and A. G. Orpen

Online 23 July 2008

Key indicators

• Single-crystal X-ray study
• T = 173 K
• Mean (C-C) = 0.003 Å
• R factor = 0.024
• wR factor = 0.064
• Data-to-parameter ratio = 19.8

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Cu1    --  Cl1     ..       7.26 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Cu1    --  Cl2_a   ..       8.44 su   
PLAT048_ALERT_1_C MoietyFormula Not Given ........................          ?
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          1      
              C20 H30 Cl6 Cu2 N8                                               

Alert level G
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          2      

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   5 ALERT level C = Check and explain
   1 ALERT level G = General alerts; check

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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